Epelmycin A
TL;DR: Epelmycin A (CAS 107807-25-0) is a chemical compound with molecular formula C42H53NO15 and molecular weight 811.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Epelmycin A, methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,12-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2alpha,5beta(2S*,6R*),6beta))-tetrahydro-6-methyl-5-((tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, Methyl 2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-4-O-{6-methyl-5-[(6-methyl-5-oxooxan-2-yl)oxy]oxan-2-yl}hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
| Molecular Formula | C42H53NO15 |
|---|---|
| Molecular Weight | 811.34 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 217.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 811.3415 |
| Heavy Atoms | 58 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 107807-25-0 |
|---|---|
| SMILES | CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)OC7CCC(=O)C(O7)C)N(C)C)O |
| InChIKey | GSCMQULDSZTLKO-UHFFFAOYSA-N |
Product Overview
Epelmycin A (CAS 107807-25-0), with molecular formula C42H53NO15 and molecular weight 811.34 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Epelmycin A
Property Insights of Epelmycin A
The XLogP value of 5.0 indicates that Epelmycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.0 Ų indicates high polarity, suggesting Epelmycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epelmycin A has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epelmycin A?
The CAS number of Epelmycin A is 107807-25-0.
What is the molecular formula of Epelmycin A?
The molecular formula of Epelmycin A is C42H53NO15.
What is the molecular weight of Epelmycin A?
The molecular weight of Epelmycin A is 811.34 g/mol.
Where can I buy Epelmycin A?
You can request a quote for Epelmycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epelmycin A?
Yes, KEHONG BIO provides custom synthesis services for Epelmycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.